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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Assessment of the Short-Term Radiometric Stability between Terra MODIS and Landsat 7 ETM+ Sensors

The Landsat 7 (L7) Enhanced Thematic Mapper (ETM+) sensor was launched on April 15th, 1999 and has been in operation for over nine years. It has six reflective solar spectral bands located in the visible and shortwave infrared part of the electromagnetic spectrum (0.5 - 2.5 micron) at a spatial resolution of 30 m. The on-board calibrators are used to monitor the on-orbit sensor system changes. The ETM+ performs solar calibrations using on-board Full Aperture Solar Calibrator (FASC) and the Partial Aperture Solar Calibrator (PASC). The Internal Calibrator Lamp (IC) lamps, a blackbody and shutter optics constitute the on-orbit calibration mechanism for ETM+. On 31 May 2003, a malfunction of the scan-line corrector (SLC) mirror assembly resulted in the loss of approximately 22% of the normal scene area. The missing data affects most of the image with scan gaps varying in width from one pixel or less near the centre of the image to 14 pixels along the east and west edges of the image, creating a wedge-shaped pattern. However, the SLC failure has no impacts on the radiometric performance of the valid pixels. On December 18, 1999, the Moderate Resolution Imaging Spectroradiometer (MODIS) Proto-Flight Model (PFM) was launched on-board the NASA's EOS Terra spacecraft. Terra MODIS has 36 spectral bands with wavelengths ranging from 0.41 to 14.5 micron and collects data over a wide field of view angle (+/-55 deg) at three nadir spatial resolutions of 250 m, 500 in 1 km for bands 1 to 2, 3 to 7, and 8 to 36, respectively. It has 20 reflective solar bands (RSB) with spectral wavelengths from 0.41 to 2.1 micron. The RSB radiometric calibration is performed by using on-board solar diffuser (SD), solar diffuser stability monitor (SDSM), space-view (SV), and spectro-radiometric calibration assembly (SRCA). Through the SV port, periodic lunar observations are used to track radiometric response changes at different angles of incidence (AOI) of the scan mirror. As a part of the AM Constellation satellites, Terra MODIS flies approximately 30 minutes behind L7 ETM+ in the same orbit. The orbit of L7 is repetitive, circular, sunsynchronous, and near polar at a nominal altitude of 705 km (438 miles) at the Equator. The spacecraft crosses the Equator from north to south on a descending node between 10:00 AM and 10:15 AM. Circling the Earth at 7.5 km/sec, each orbit takes nearly 99 minutes. The spacecraft completes just over 14 orbits per day, covering the entire Earth between 81 degrees north and south latitude every 16 days. The longest continuous imaging swath that L7 sensor can collect is for a 14-minute subinterval contact period which is equivalent to 35 full WRS-2 scenes. On the other hand, Terra can provide the entire corresponding orbit with wider swath at any given ETM+ collection without contact time limitation. There are six spectral matching band pairs between MODIS (bands 3, 4, 1, 2, 6, 7) and ETM+ (bands 1, 2, 3, 4, 5, 7) sensor. MODIS has narrower spectral responses than ETM+ in all the bands. A short-term radiometric stability was evaluated using continuous ETM+ scenes within the contact period and the corresponding half orbit MODIS scenes. The near simultaneous earth observations (SNO) were limited by the smaller swath size of ETM+ (187 km) as compared to MODIS (2330 km). Two sets of continuous granules for MODIS and ETM+ were selected and mosaiced based on pixel geolocation information for non cloudy pixels over the North American continent. The Top-of- Atmosphere (TOA) reflectances were computed for the spectrally matching bands between ETM+ and MODIS over the regions of interest (ROI). The matching pixel pairs were aggregated from a finer to a coarser pixel resolution and the TOA reflectance values covering a wide dynamic range of the sensors were compared and analyzed. Considering the uncertainties of the absolute calibration of the both sensors, radiometric stability was verified for the band pairs. The Railroad Valley Playa, Nada (RVPN) was included in the path of this continuous orbit, which served as a verification point between the shortterm and the long-term trending results from previous studies. This work focuses on monitoring the short-term on-orbit stability of MODIS and the ETM+ RSB. It also provides an assessment of the absolute calibration differences between the two sensors over their wide dynamic ranges.

Choi, Taeyoung↗
NASA NTRS2011

Using High-Resolution Forward Model Simulations of Ideal Atmospheric Tracers to Assess the Spatial Information Content of Inverse CO2 Flux Estimates

Attribution of observed atmospheric carbon concentrations to emissions on the country, state or city level is often inferred using "inversion" techniques. Such computations are often performed using advanced mathematical techniques, such as synthesis inversion or four-dimensional variational analysis, that invoke tracing observed atmospheric concentrations backwards through a transport model to a source region. It is, to date, not well understood how well such techniques can represent fine spatial (and temporal) structure in the inverted flux fields. This question is addressed using forward-model computations with idealized tracers emitted at the surface in a large number of grid boxes over selected regions and examining how distinctly these emitted tracers can be detected downstream. Initial results show that tracers emitted in half-degree grid boxes over a large region of the Eastern USA cannot be distinguished from each other, even at short distances over the Atlantic Ocean, when they are emitted in grid boxes separated by less than five degrees of latitude - especially when only total-column observations are available. A large number of forward model simulations, with varying meteorological conditions, are used to assess how distinctly three types observations (total column, upper tropospheric column, and surface mixing ratio) can separate emissions from different sources. Inferences inverse modeling and source attribution will be drawn.

Pawson, Steven↗
DOE OSTI2019

Initial Assessment of Cover Degradation Features at the Mexican Hat, Utah, UMTRCA Disposal Site - 19556

The Mexican Hat, Utah, Uranium Mill Tailings Radiation Control Act (UMTRCA) Title I Disposal Site is located on the Navajo Reservation in southeast Utah. The US Nuclear Regulatory Commission licensed the site to the US Department of Energy Office of Legacy Management (LM) for custody and long-term care. LM manages long-term surveillance and maintenance activities at the site with the principal goal of protecting human health and the environment. The disposal cell was designed to encapsulate low-level radioactive mill tailings and other residual radioactive materials (RRM) in a way that minimizes the need for active maintenance and limits radon gas emanation and precipitation infiltration. The disposal cell has a multicomponent cover, consisting of a 60 cm thick (24 inch), low-permeability, bentonite-amended radon barrier, overlain by a 15 cm thick (6 inch) sandy gravel bedding/filter layer and a 30 cm thick (12 inch) riprap erosion-protection layer. Under UMTRCA, designs intended to control and contain RRM shall be effective for up to 1000 years, to the extent reasonably achievable and, in any case, for at least 200 years. In 2016, multiple subtle depressions were identified on the rock cover along the toe and lower portions of the northeast side slope of the disposal cell. Due to concerns regarding potential impacts to disposal cell performance and erosion resistance, evaluations of the depressions and cell cover design and construction were initiated. The evaluations included reviews of the disposal cell as-built drawings and supporting design calculations for the rock cover components. Also, in 2017, a weather monitoring station was installed at the site to collect continuous site-specific meteorological data, and repeatable ground-based light imaging, detection, and ranging (lidar) topographical and aerial photogrammetry surveys were implemented to monitor for potential changes in the surface depression features. The evaluations also included visual inspections of the depressions, and in 2018, small-area manual excavations of the rock cover components (test pits) were performed to observe the conditions of the cover components, scan for radioactivity, and observe evidence of erosion on the surface of the radon barrier material. Voids and incisions were discovered within the radon barrier on the north and northeast side slopes of the disposal cell. Visual observations at test pits indicate that the bedding/filter material is highly segregated and may not be in conformance with the disposal cell engineering and construction design specifications. Post-construction development of a weak to strongly cemented material has also been observed immediately below the base of the bedding layer in test pits with observed radon barrier degradation. A series of radiological surveys have been performed at the site, and radiological readings have not exceeded natural background conditions in the vicinity of the site. Thus, the site remains protective of human health and the environment. Implementation of continuous radiological monitoring at the site will be initiated in fall 2018 through the deployment of radon cups and thermoluminescent dosimeters to obtain data that provides supporting evidence that the disposal cell remains protective of human health and the environment. Evaluations to determine the cause(s) of the depression features and associated radon barrier erosion are ongoing. Possible mechanisms of cover degradation identified thus far include segregated bedding material that would allow for higher precipitation runoff velocities, resulting in erosion of the radon barrier; post-construction cementation of radon barrier or aeolian material that could negatively affect the performance of the radon barrier; cation exchange leading to the development of cementation; and aeolian deposition affecting precipitation runoff. Moreover, geotechnical sampling and testing is planned to verify spatial cover conditions relative to design specifications. The resulting information will be used to identify possible causes for the surface depressions and associated radon barrier degradation, gain insight on potential long-term performance implications along the side slopes of the disposal cell, and identify potential corrective actions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

O’Hare Airport Short-Term Ground Transportation Modal Demand Forecast Using Gaussian Processes

Here, the principal objective of this study is to analyze the spatial and temporal variation of ground transportation airport demand and provide demand forecast to inform planning capability and explore alternatives for investments to accommodate airport growth. Because of its good adaptability and strong generalization ability for dealing with high-dimensional input, small-sample, and nonlinear spatial data, Gaussian process (GP) regression is used to provide forecast estimates using data from transportation network company (TNC) trips and urban rail passengers at Chicago's O'Hare International Airport. TNC airport trips differ significantly, with three times more distance, more than twice the travel time, and half of the share requests compared with nonairport trips. This highlights the need for separate demand models. Hourly analysis of the rail service indicates that this is likely heavily used by airport workers, whereas TNC services focus on travelers because of variations in the peak demand hours. Heteroscedastic GP regression is implemented because of differences in trip variance between night and day hours. Estimates are given for weekdays and weekend trips, and the 95% confidence intervals are calculated. The introduction of flight schedule information into the models shows marginal improvements in their performance. However, fitting a GP regression becomes computationally expensive with increased sample size and the introduction of spatial components. Transportation planners and policymakers can use the results and methods implemented in this study to optimize transportation assets and provide long-range simulations of the current and future conditions in the area.

42 ENGINEERING↗
DOE OSTI2021

Error Characteristics and Scale Dependence of Current Satellite Precipitation Estimates Products in Hydrological Modeling

Satellite precipitation estimates (SPEs) are promising alternatives to gauge observations for hydrological applications (e.g., streamflow simulation), especially in remote areas with sparse observation networks. However, the existing SPEs products are still biased due to imperfections in retrieval algorithms, data sources and post-processing, which makes the effective use of SPEs a challenge, especially at different spatial and temporal scales. In this study, we used a distributed hydrological model to evaluate the simulated discharge from eight quasi-global SPEs at different spatial scales and explored their potential scale effects of SPEs on a cascade of basins ranging from approximately 100 to 130,000 km 2 . The results indicate that, regardless of the difference in the accuracy of various SPEs, there is indeed a scale effect in their application in discharge simulation. Specifically, when the catchment area is larger than 20,000 km2, the overall performance of discharge simulation emerges an ascending trend with the increase of catchment area due to the river routing and spatial averaging. Whereas below 20,000 km 2 , the discharge simulation capability of the SPEs is more randomized and relies heavily on local precipitation accuracy. Our study also highlights the need to evaluate SPEs or other precipitation products (e.g., merge product or reanalysis data) not only at the limited station scale, but also at a finer scale depending on the practical application requirements. Here we have verified that the existing SPEs are scale-dependent in hydrological simulation, and they are not enough to be directly used in very fine scale distributed hydrological simulations (e.g., flash flood). More advanced retrieval algorithms, data sources and bias correction methods are needed to further improve the overall quality of SPEs.

DTVGM↗
NASA NTRS1987

The effect of processing code, response modality and task difficulty on dual task performance and subjective workload in a manual system

This paper reports on the first experiment of a series studying the effect of task structure and difficulty demand on time-sharing performance and workload in both automated and corresponding manual systems. The experimental task involves manual control time-shared with spatial and verbal decisions tasks of two levels of difficulty and two modes of response (voice or manual). The results provide strong evidence that tasks and processes competing for common processing resources are time shared less effecively and have higher workload than tasks competing for separate resources. Subjective measures and the structure of multiple resources are used in conjunction to predict dual task performance. The evidence comes from both single-task and from dual-task performance.

Liu, Yili↗
DOE OSTI2023

Three-pole wigglers at NSLS-II

The National Synchrotron Light Source-II (NSLS-II) at Brookhaven National Lab (BNL) is a third-generation medium-energy storage ring with 3 GeV and sub-nm-rad horizontal emittance, equipped with a top-off capability of 500 mA. It is designed to deliver an extremely intense photon beam across a wide spectral range, from the far-infrared to the very hard X-ray region. This outstanding performance is achieved through a combination of bending magnets (BM), three-pole wigglers (3 PW), and advanced insertion device (ID) sources. Six three-pole wigglers have been constructed at the NSLS-II IDs Lab. These devices are used to produce broadband radiation with lower angular power density and to monitor the electron beam emittance and energy spread. Here, this paper describes the R&D activities focused on developing the required magnetic and mechanical designs, along with magnetic field optimization and the final magnetic measurement results. It also covers the spectral brightness, flux, power density, spatial and angular output properties of the 3 PWs, including their commissioning results and their effects on the performance of the NSLS-II storage ring.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Tailored Convolutional Neural Network for Nonlinear Manifold Learning of Computational Physics Data Using Unstructured Spatial Discretizations

In this work, we propose a nonlinear manifold learning technique based on deep convolutional autoencoders that is appropriate for model order reduction of physical systems in complex geometries. Convolutional neural networks have proven to be highly advantageous for compressing data arising from systems demonstrating a slow-decaying Kolmogorov n-width. However, these networks are restricted to data on structured meshes. Unstructured meshes are often required for performing analyses of real systems with complex geometry. Our custom graph convolution operators based on the available differential operators for a given spatial discretization effectively extend the application space of deep convolutional autoencoders to systems with arbitrarily complex geometry that are typically discretized using unstructured meshes. We propose sets of convolution operators based on the spatial derivative operators for the underlying spatial discretization, making the method particularly well suited to data arising from the solution of partial differential equations. We demonstrate the method using examples from heat transfer and fluid mechanics and show better than an order of magnitude improvement in accuracy over linear methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

High-Fidelity and High-Performance Computational Simulations for Rapid Design Optimization of Sulfur Thermal Energy Storage

Industrial process heating (IPH) accounts for approximately 70% of US manufacturing energy use and is primarily produced by fossil fuel combustion. Approximately 1500 TWht (approximately 60%) of IPH demand is in the temperature range of 100-300. Industrial applications in this temperature range include drying, hydrothermal processing, thermal enhanced oil recovery, food and beverage, bioethanol production, etc. Cost-effective thermal energy storage (TES) that increases the utilization of waste and renewable heat (solar, geothermal, etc.) could provide significant energy savings and reliable heat sources, decrease emissions, and increase US manufacturing competitiveness through reductions in fuel consumption. TES development has historically been dominated by technologies suitable for deployment with concentrating solar power (CSP). State-of-the-art thermal storage deployed commercially with power tower CSP plants uses a 60%/40% NaNO3/KNO3 molten salt and operates between temperatures of approximately 280 degrees Celsius and 570 degrees Celsius using a two-tank configuration. However, these nitrate salts are unsuitable for operation outside of this temperature range due to a high freezing point of approximately 220 degrees Celsius, and limits on high-temperature salt stability and corrosion resistance of containment alloys. Other materials being investigated for TES include those based on: (1) sensible energy storage (various molten salt compositions, inert solid particles, rocks or pebble beds, sulfur, water, concrete, graphite, etc.), (2) latent energy storage in materials that undergo solid-liquid phase change at relevant temperatures (organic materials for low-temperature applications, inorganic salts and/or metals for high-temperature applications), or (3) thermochemical energy storage (hydrides, hydroxides, carbonates, metal oxides, etc.). The application temperature and challenges pertaining to storage material and/or containment cost, energy density, long-term thermal and cyclic stability, and charge/discharge heat transfer effectiveness drive material selection for a given IPH or electricity generation application. Sulfur is a cheap commodity at $80/ton compared to $1100 - 1300/ton for conventional salts. When using a metric of storage cost per kWh, sulfur costs around 2-3 $/kWh. Previous sulfur TES development focused on high temperature (>600 degrees) concentrated solar power applications with sulfur encapsulated in pipes and flow of gaseous HTF (air) in the shell side. However, for lower-temperature IPH applications in the range of approximately 100-300 degrees Celsius Element 16 adopted a compact and scalable TES design with molten sulfur in the shell and HTF pipes submerged in the molten sulfur bath. The low-cost molten sulfur TES for dispatchable IPH has deployment potential for broad applications. The spatial and temporal evolution of the HTF and sulfur temperature is critical to the TES system performance, and thus detailed modeling can improve understanding of the performance and facilitate design improvements. Using high performance computing and computational fluid dynamics (CFD) a low-cost molten sulfur thermal energy storage (TES) system for industrial process heating (IPH) applications was developed. The unique challenges in CFD modeling of sulfur TES are the sharp property changes of sulfur relevant to the working temperatures. Above 159, liquid sulfur undergoes polymerization, and the viscosity of sulfur rapidly increases by several orders of magnitude between 159 degrees Celsius and 188 degrees Celsius, followed by a decrease in viscosity beyond 188 degrees Celsius due to thermal bound dissociation. In addition, various concentrations of H2S impurities can also modify sulfur viscosity. This numerical challenge is especially relevant to transient simulation of the sulfur TES charging and discharging processes as the extreme property variations limit the applicability of traditional heat transfer correlations. Transient CFD simulations including the temperature-dependent sulfur properties and geometric complexity of the TES design were used to predict the effect of natural convection during charging and discharging on the heat transfer process, sulfur temperature uniformity, charge/discharge rates, and performance of the storage devices. The CFD model was validated with experimental results for a full charge and discharge cycle. The work will show 3D and 2D simulation comparisons aimed to facilitate rapid design iterations and a machine learning based design optimization approach.

CFD↗
NASA NTRS2012

Mapping of CO2 at High Spatiotemporal Resolution using Satellite Observations: Global distributions from OCO-2

Satellite observations of CO2 offer new opportunities to improve our understanding of the global carbon cycle. Using such observations to infer global maps of atmospheric CO2 and their associated uncertainties can provide key information about the distribution and dynamic behavior of CO2, through comparison to atmospheric CO2 distributions predicted from biospheric, oceanic, or fossil fuel flux emissions estimates coupled with atmospheric transport models. Ideally, these maps should be at temporal resolutions that are short enough to represent and capture the synoptic dynamics of atmospheric CO2. This study presents a geostatistical method that accomplishes this goal. The method can extract information about the spatial covariance structure of the CO2 field from the available CO2 retrievals, yields full coverage (Level 3) maps at high spatial resolutions, and provides estimates of the uncertainties associated with these maps. The method does not require information about CO2 fluxes or atmospheric transport, such that the Level 3 maps are informed entirely by available retrievals. The approach is assessed by investigating its performance using synthetic OCO-2 data generated from the PCTM/ GEOS-4/CASA-GFED model, for time periods ranging from 1 to 16 days and a target spatial resolution of 1deg latitude x 1.25deg longitude. Results show that global CO2 fields from OCO-2 observations can be predicted well at surprisingly high temporal resolutions. Even one-day Level 3 maps reproduce the large-scale features of the atmospheric CO2 distribution, and yield realistic uncertainty bounds. Temporal resolutions of two to four days result in the best performance for a wide range of investigated scenarios, providing maps at an order of magnitude higher temporal resolution relative to the monthly or seasonal Level 3 maps typically reported in the literature.

Hammerling, Dorit M.↗
DOE OSTI2025

High‐Resolution National‐Scale Water Modeling Is Enhanced by Multiscale Differentiable Physics‐Informed Machine Learning

Abstract The National Water Model (NWM) is a key tool for flood forecasting, planning, and water management. Key challenges facing the NWM include calibration and parameter regionalization when confronted with big data. We present two novel versions of high‐resolution (∼37 km 2 ) differentiable models (a type of hybrid model): one with implicit, unit‐hydrograph‐style routing and another with explicit Muskingum‐Cunge routing in the river network. The former predicts streamflow at basin outlets whereas the latter presents a discretized product that seamlessly covers rivers in the conterminous United States (CONUS). Both versions use neural networks to provide a multiscale parameterization and process‐based equations to provide a structural backbone, which were trained simultaneously (“end‐to‐end”) on 2,807 basins across the CONUS and evaluated on 4,997 basins. Both versions show great potential to elevate future NWM performance for extensively calibrated as well as ungauged sites: the median daily Nash‐Sutcliffe efficiency of all 4,997 basins is improved to around 0.68 from 0.48 of NWM3.0. As they resolve spatial heterogeneity, both versions greatly improved simulations in the western CONUS and also in the Prairie Pothole Region, a long‐standing modeling challenge. The Muskingum‐Cunge version further improved performance for basins >10,000 km 2 . Overall, our results show how neural‐network‐based parameterizations can improve NWM performance for providing operational flood predictions while maintaining interpretability and multivariate outputs. The modeling system supports the Basic Model Interface (BMI), which allows seamless integration with the next‐generation NWM. We also provide a CONUS‐scale hydrologic data set for further evaluation and use.

Song, Yalan [Civil and Environmental Engineering T↗
NASA NTRS2010

Downscaling Soil Moisture in the Southern Great Plains Through a Calibrated Multifractal Model for Land Surface Modeling Applications

Accounting for small-scale spatial heterogeneity of soil moisture (theta) is required to enhance the predictive skill of land surface models. In this paper, we present the results of the development, calibration, and performance evaluation of a downscaling model based on multifractal theory using aircraft!based (800 m) theta estimates collected during the southern Great Plains experiment in 1997 (SGP97).We first demonstrate the presence of scale invariance and multifractality in theta fields of nine square domains of size 25.6 x 25.6 sq km, approximately a satellite footprint. Then, we estimate the downscaling model parameters and evaluate the model performance using a set of different calibration approaches. Results reveal that small-scale theta distributions are adequately reproduced across the entire region when coarse predictors include a dynamic component (i.e., the spatial mean soil moisture ) and a stationary contribution accounting for static features (i.e., topography, soil texture, vegetation). For wet conditions, we found similar multifractal properties of soil moisture across all domains, which we ascribe to the signature of rainfall spatial variability. For drier states, the theta fields in the northern domains are more intermittent than in southern domains, likely because of differences in the distribution of vegetation coverage. Through our analyses, we propose a regional downscaling relation for coarse, satellite-based soil moisture estimates, based on ancillary information (static and dynamic landscape features), which can be used in the study area to characterize statistical properties of small-scale theta distribution required by land surface models and data assimilation systems.

Mascaro, Giuseppe↗
DOE OSTI2019

Separability of Mesh Bias and Parametric Uncertainty for a Full System Thermal Analysis

When making computational simulation predictions of multiphysics engineering systems, sources of uncertainty in the prediction need to be acknowledged and included in the analysis within the current paradigm of striving for simulation credibility. A thermal analysis of an aerospace geometry was performed at Sandia National Laboratories. Here, for this analysis, a verification, validation, and uncertainty quantification (VVUQ) workflow provided structure for the analysis, resulting in the quantification of significant uncertainty sources including spatial numerical error and material property parametric uncertainty. It was hypothesized that the parametric uncertainty and numerical errors were independent and separable for this application. This hypothesis was supported by performing uncertainty quantification (UQ) simulations at multiple mesh resolutions, while being limited by resources to minimize the number of medium and high resolution simulations. In conclusion, based on this supported hypothesis, a prediction including parametric uncertainty and a systematic mesh bias is used to make a margin assessment that avoids unnecessary uncertainty obscuring the results and optimizes use of computing resources.

42 ENGINEERING↗
DOE OSTI2020

PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite element method

Abstract A new phase-field modeling framework with an emphasis on performance, flexibility, and ease of use is presented. Foremost among the strategies employed to fulfill these objectives are the use of a matrix-free finite element method and a modular, application-centric code structure. This approach is implemented in the new open-source PRISMS-PF framework. Its performance is enabled by the combination of a matrix-free variant of the finite element method with adaptive mesh refinement, explicit time integration, and multilevel parallelism. Benchmark testing with a particle growth problem shows PRISMS-PF with adaptive mesh refinement and higher-order elements to be up to 12 times faster than a finite difference code employing a second-order-accurate spatial discretization and first-order-accurate explicit time integration. Furthermore, for a two-dimensional solidification benchmark problem, the performance of PRISMS-PF meets or exceeds that of phase-field frameworks that focus on implicit/semi-implicit time stepping, even though the benchmark problem’s small computational size reduces the scalability advantage of explicit time-integration schemes. PRISMS-PF supports an arbitrary number of coupled governing equations. The code structure simplifies the modification of these governing equations by separating their definition from the implementation of the numerical methods used to solve them. As part of its modular design, the framework includes functionality for nucleation and polycrystalline systems available in any application to further broaden the phenomena that can be used to study. The versatility of this approach is demonstrated with examples from several common types of phase-field simulations, including coarsening subsequent to spinodal decomposition, solidification, precipitation, grain growth, and corrosion.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Barriers and variable spacing enhance convective cooling and increase power output in solar PV plants

When the temperature of solar photovoltaic (PV) modules rises, efficiency drops and module degradation accelerates. Thus, it is beneficial to reduce module operating temperatures. Previous studies of solar power plants have illustrated that incoming flow characteristics, turbulent mixing, and array geometry can strongly impact convective cooling, as measured by the convective heat transfer coefficient h. In the fields of heat transfer and plant canopy flow, previous work has shown that system-scale arrangement modifications—e.g., variable spacing, barriers, or windbreaks—can passively alter the flow, enhance turbulent mixing, and influence convection. However, researchers have not yet explored how variable spacing or barriers might enhance convective cooling in solar power plants. Here, high-resolution large-eddy simulations model the air flow and heat transfer through solar power plant arrangements modified with missing modules and barrier walls. We then perform a control volume analysis to evaluate the net heat flux and compute h, which quantifies the influence of these spatial modifications on convective cooling and, thus, module temperature and power output. Installing barrier walls yields the greatest improvements, increasing h by 3.4%, reducing module temperature by an estimated 2.5 °C, and boosting power output by an estimated 1.4% on average. These findings indicate that incorporating variable spacing or barrier-type elements into PV plant designs can reduce module temperature and, thus, improve PV performance and service life.

14 SOLAR ENERGY↗
NASA NTRS2001

Effects of Above Real Time Training (ARTT) On Individual Skills and Contributions to Crew/Team Performance

Above Real Time Training (ARTT) is the training acquired on a real time simulator when it is modified to present events at a faster pace than normal. The experiments on training of pilots performed by NASA engineers and others have indicated that real time training (RTT) reinforced with ARTT would offer an effective training strategy for such tasks which require significant effort at time and workload management. A study was conducted to find how ARTT and RTT complement each other for training of novice pilot-navigator teams to fly on a required route. In the experiment, each of the participating pilot-navigator teams was required to conduct simulator flights on a prescribed two-legged ground track while maintaining required air speed and altitude. At any instant in a flight, the distance between the actual spatial point location of the airplane and the required spatial point was used as a measure of deviation from the required route. A smaller deviation represented better performance. Over a segment of flight or over complete flight, an average value of the deviation represented consolidated performance. The deviations were computed from the information on latitude, longitude, and altitude. In the combined ARTT and RTT program, ARTT at intermediate training intervals was beneficial in improving the real time performance of the trainees. It was observed that the team interaction between pilot and navigator resulted in maintaining high motivation and active participation throughout the training program.

Ali, Syed Firasat↗
DOE OSTI2019

Scalable Performance Awareness for In Situ Scientific Applications

Part of the promise of exascale computing and the next generation of scientific simulation codes is the ability to bring together time and spatial scales that have traditionally been treated separately. This enables creating complex coupled simulations and in situ analysis pipelines, encompassing such things as "whole device" fusion models or the simulation of cities from sewers to rooftops. Unfortunately, the HPC analysis tools that have been built up over the preceding decades are ill suited to the debugging and performance analysis of such computational ensembles. In this paper, we present a new vision for performance measurement and understanding of HPC codes, MonitoringAnalytics (MONA). MONA is designed to be a flexible, high performance monitoring infrastructure that can perform monitoring analysis in place or in transit by embedding analytics and characterization directly into the data stream, without relying upon delivering all monitoring information to a central database for post-processing. It addresses the trade-offs between the prohibitively expensive capture of all performance characteristics and not capturing enough to detect the features of interest. We demonstrate several uses of MONA; capturing and indexing multi-executable performance profiles to enable later processing, extraction of performance primitives to enable the generation of customizable benchmarks and performance skeletons, and extracting communication and application behaviors to enable better control and placement for the current and future runs of the science ensemble. Relevant performance information based on a system for MONA built from ADIOS and SOSflow technologies is provided for DOE science applications and leadership machines.

Wolf, Matthew D.↗
DOE OSTI2023

Spatial Control of Substitutional Dopants in Hexagonal Monolayer WS 2 : The Effect of Edge Termination

The ability to control the density and spatial distribution of substitutional dopants in semiconductors is crucial for achieving desired physicochemical properties. Substitutional doping with adjustable doping levels has been previously demonstrated in 2D transition metal dichalcogenides (TMDs); however, the spatial control of dopant distribution remains an open field. In this work, edge termination is demonstrated as an important characteristic of 2D TMD monocrystals that affects the distribution of substitutional dopants. Particularly, in chemical vapor deposition (CVD)-grown monolayer WS 2 , it is found that a higher density of transition metal dopants is always incorporated in sulfur-terminated domains when compared to tungsten-terminated domains. Here two representative examples demonstrate this spatial distribution control, including hexagonal iron- and vanadium-doped WS 2 monolayers. Density functional theory (DFT) calculations are further performed, indicating that the edge-dependent dopant distribution is due to a strong binding of tungsten atoms at tungsten-zigzag edges, resulting in the formation of open sites at sulfur-zigzag edges that enable preferential dopant incorporation. Based on these results, it is envisioned that edge termination in crystalline TMD monolayers can be utilized as a novel and effective knob for engineering the spatial distribution of substitutional dopants, leading to in-plane hetero-/multi-junctions that display fascinating electronic, optoelectronic, and magnetic properties.

2D transition metal dichalcogenides↗